5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one

C24H24Cl3N3O — CID 547188

IUPAC5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)cccc3c(=O)c21
InChIInChI=1S/C24H24Cl3N3O/c1-30(2)10-4-9-28-20-11-14(16-8-7-15(25)13-19(16)27)12-21-22(20)24(31)17-5-3-6-18(26)23(17)29-21/h3,5-8,13-14H,4,9-12H2,1-2H3,(H,29,31)/b28-20+
InChIKeyVGCZGVRQTKKKQA-VFCFBJKWSA-N
MW476.84 g/mol
LogP5.96
Rot. Bonds5

About 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one

5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 547188) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
PubChem CID547188
Molecular FormulaC24H24Cl3N3O
Molecular Weight476.84 g/mol
Exact Mass475.10
IUPAC Name5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)cccc3c(=O)c21
InChIInChI=1S/C24H24Cl3N3O/c1-30(2)10-4-9-28-20-11-14(16-8-7-15(25)13-19(16)27)12-21-22(20)24(31)17-5-3-6-18(26)23(17)29-21/h3,5-8,13-14H,4,9-12H2,1-2H3,(H,29,31)/b28-20+
InChIKeyVGCZGVRQTKKKQA-VFCFBJKWSA-N
XLogP5.96
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (CID 547188) is 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one is CN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)cccc3c(=O)c21.
What is the InChIKey of 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The InChIKey is VGCZGVRQTKKKQA-VFCFBJKWSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-30(2)10-4-9-28-20-11-14(16-8-7-15(25)13-19(16)27)12-21-22(20)24(31)17-5-3-6-18(26)23(17)29-21/h3,5-8,13-14H,4,9-12H2,1-2H3,(H,29,31)/b28-20+.
What are the key properties of 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one has a molecular weight of 476.84 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 547188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).